a ICI, Measurement Science Group, Wilton Technical Centre, Middlesbrough, Cleveland TS10 4RF, UK;b Biological Mass Spectrometry and Proteomics Group, Department of Biological Sciences, University of Warwick, Coventry CV4 5AL, UK
Abstract:
High energy (4 keV) collision-induced dissociation (CID) product ion spectra have been obtained for a series of isomeric sugar molecules of close structural similarity. The reproducibility of the approach has been established and the spectra shown to have significant differences. These differences have been rationalised in terms of conventional mass spectrometric fragmentation rules. The data have also been subjected to analysis using chemometric methods, which require no specialist mass spectrometric input. The resulting classification of the data shows good agreement with the conventional interpretation approach.